3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine

C22H40F2N2 — CID 156517873

IUPAC3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1=CCN(C(C)CCC(C)N2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C22H40F2N2/c1-16(2)20-9-12-25(13-10-20)18(5)7-8-19(6)26-14-11-21(17(3)4)22(23,24)15-26/h9,16-19,21H,7-8,10-15H2,1-6H3
InChIKeyXEYZHENMBIBTMQ-UHFFFAOYSA-N
MW370.57 g/mol
LogP5.44
Rot. Bonds7

About 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine

3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine (PubChem CID 156517873) has the molecular formula C22H40F2N2 and a molecular weight of 370.57 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine
PubChem CID156517873
Molecular FormulaC22H40F2N2
Molecular Weight370.57 g/mol
Exact Mass370.32
IUPAC Name3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine
SMILESCC(C)C1=CCN(C(C)CCC(C)N2CCC(C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C22H40F2N2/c1-16(2)20-9-12-25(13-10-20)18(5)7-8-19(6)26-14-11-21(17(3)4)22(23,24)15-26/h9,16-19,21H,7-8,10-15H2,1-6H3
InChIKeyXEYZHENMBIBTMQ-UHFFFAOYSA-N
XLogP5.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine?
The IUPAC name of 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine (CID 156517873) is 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine?
The canonical SMILES for 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine is CC(C)C1=CCN(C(C)CCC(C)N2CCC(C(C)C)C(F)(F)C2)CC1.
What is the InChIKey of 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine?
The InChIKey is XEYZHENMBIBTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F2N2/c1-16(2)20-9-12-25(13-10-20)18(5)7-8-19(6)26-14-11-21(17(3)4)22(23,24)15-26/h9,16-19,21H,7-8,10-15H2,1-6H3.
What are the key properties of 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine?
3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine has a molecular weight of 370.57 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yl-1-[5-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)hexan-2-yl]piperidine is sourced from PubChem (CID 156517873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).